data_global
_chemical_name_mineral 'Rhodonite'
loop_
_publ_author_name
'Peacor D R'
'Essene E J'
'Brown P E'
'Winter G A'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 1137
_journal_page_last 1142
_publ_section_title
;
 The crystal chemistry and petrogenesis of a magnesian rhodonite
;
_database_code_amcsd 0000690
_chemical_formula_sum 'Mn3.54 Mg.86 Ca.6 Si5 O15'
_cell_length_a 9.797
_cell_length_b 10.497
_cell_length_c 12.185
_cell_angle_alpha 108.55
_cell_angle_beta 103.02
_cell_angle_gamma 82.49
_cell_volume 1155.084
_exptl_crystal_density_diffrn      3.564
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1   0.00123   0.03004   0.14764   0.89000   0.00887
Mg1   0.00123   0.03004   0.14764   0.11000   0.00887
Mn2   0.00119   0.12745   0.44535   0.86000   0.00937
Mg2   0.00119   0.12745   0.44535   0.14000   0.00937
Mn3   0.01589   0.20418   0.73086   0.86000   0.00912
Mg3   0.01589   0.20418   0.73086   0.14000   0.00912
Mn4   0.05527   0.26488   0.02469   0.53000   0.01178
Mg4   0.05527   0.26488   0.02469   0.47000   0.01178
Ca5   0.99616   0.35153   0.30258   0.60000   0.01406
Mn5   0.99616   0.35153   0.30258   0.40000   0.01406
Si1   0.20450   0.44870   0.91260   1.00000   0.00912
Si2   0.21210   0.36550   0.65460   1.00000   0.00874
Si3   0.21600   0.57870   0.53020   1.00000   0.00925
Si4   0.21380   0.50610   0.26160   1.00000   0.00937
Si5   0.20690   0.70150   0.12520   1.00000   0.00887
Oa1   0.12760   0.07340   0.03900   1.00000   0.01279
Oa2   0.11920   0.15850   0.32190   1.00000   0.01292
Oa3   0.11510   0.92160   0.43590   1.00000   0.01267
Oa4   0.11850   0.01410   0.73240   1.00000   0.01216
Oa5   0.12740   0.78950   0.85470   1.00000   0.01178
Oa6   0.10050   0.83270   0.13010   1.00000   0.01241
Ob1   0.12690   0.32120   0.90460   1.00000   0.01494
Ob2   0.12450   0.23420   0.61140   1.00000   0.01330
Ob3   0.12730   0.71000   0.59110   1.00000   0.02001
Ob4   0.12540   0.38070   0.18350   1.00000   0.01532
Oc1   0.17010   0.46720   0.77880   1.00000   0.01292
Oc2   0.16020   0.45560   0.56320   1.00000   0.01735
Oc3   0.16490   0.53770   0.38750   1.00000   0.01393
Oc4   0.15950   0.64260   0.22150   1.00000   0.01241
Oc5   0.14650   0.59270   0.99580   1.00000   0.01127

